Vitas-M small molecule compound
4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)butanamide
Catalog ID
STL541468
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)NC2CCS(=O)(=O)C2)NC(=O)C)cc(c1OC)OC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C29H37N3O8S MW 587.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37N3O8S/c1-17(33)31-22-9-7-18-14-25(38-2)28(39-3)29(40-4)27(18)20-8-10-23(24(34)15-21(20)22)30-12-5-6-26(35)32-19-11-13-41(36,37)16-19/h8,10,14-15,19,22H,5-7,9,11-13,16H2,1-4H3,(H,30,34)(H,31,33)(H,32,35)/t19?,22-/m0/s1InChIKey
UNGNSRMJTQHXCK-BPARTEKVSA-NSynonyms
1574252-64-41574252644
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(11dioxothiolan3yl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(11dioxidotetrahydrothiophen3yl)butanamide
4(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(11dioxidotetrahydrothiophen3yl)butanamide
75492332
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)NC2CCS(=O)(=O)C2)NC(=O)C)cc(c1OC)OC
InChI=1SC29H37N3O8Sc117(33)312297181425(382)28(393)29(404)27(18)2081023(24(34)1521(20)22)30125626(35)3219111341(3637)1619h81014151922H579111316H214H3(H3034)(H3133)(H3235)t19?22m0s1
ZINC000108450847
ZINC000108450850
Check stock
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Check stock on Vitas-MAvailable files
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